HMDB0041821
     RDKit          3D
Acetylisoniazid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.1169   -0.9744   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687    0.4878   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3639    1.1638   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242    1.1463    0.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9249    0.4501    0.2366 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2896    1.0789   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    2.2561   -0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    0.3618    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6397   -0.9238    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -1.5348    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006   -0.9033    0.3675 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782    0.3562   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    0.9764   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -1.4420    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -1.3454   -0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3178   -1.2736   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7493    1.8105    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561   -0.5045    0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -1.4832    0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879   -2.5661    1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    0.8709   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187    1.9922   -0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
 13 22  1  0
M  END